ethyl 2-[[4-(furan-2-ylcarbonyl)piperazin-1-yl]carbothioylamino]benzoate

Systemtic Name: ethyl 2-[[4-(furan-2-ylcarbonyl)piperazin-1-yl]carbothioylamino]benzoate Openeye Name: ethyl 2-[[4-(furan-2-carbonyl)piperazine-1-carbothioyl]amino]benzoate CAS Name: 2-[[[4-[2-furanyl(oxo)methyl]-1-piperazinyl]-sulfanylidenemethyl]amino]benzoic acid ethyl ester IUPAC Name: ethyl 2-[[4-(furan-2-carbonyl)piperazine-1-carbothioyl]amino]benzoate Traditional Name: 2-[[4-(2-furoyl)piperazine-1-carbothioyl]amino]benzoic acid ethyl ester Formula: C19H21N3O4S MolecularWeight: 387.45274

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=CC=CC=C1NC(=S)N2CCN(CC2)C(=O)C3=CC=CO3

Isomeric SMILES

CCOC(=O)C1=CC=CC=C1NC(=S)N2CCN(CC2)C(=O)C3=CC=CO3

InChI

InChI=1S/C19H21N3O4S/c1-2-25-18(24)14-6-3-4-7-15(14)20-19(27)22-11-9-21(10-12-22)17(23)16-8-5-13-26-16/h3-8,13H,2,9-12H2,1H3,(H,20,27)